N-[1-(1-adamantyl)propyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)C(C)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C27H37N3O2/c1-4-25(27-14-19-11-20(15-27)13-21(12-19)16-27)28-26(31)24-9-10-30(29-24)17-32-23-7-5-22(6-8-23)18(2)3/h5-10,18-21,25H,4,11-17H2,1-3H3,(H,28,31)